Density-functional toolkit
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Updated
Jul 5, 2024 - Julia
Density-functional toolkit
Plane wave density functional theory using Julia programming language
Julia bindings to the libxc library for exchange-correlation functionals
Atomic crystal structures for Julia
Electronic structure calculations using Julia
Support for reading and using pseudopotentials in Julia
Orbital free density functional theory. Ain't no Kohn-Sham orbitals here.
Hartree units and DFT quantities for easy multi-dispatch
ASE-compatible calculator for DFTK
Core Library of the Zen Computation Framework
Auxiliary Tools for the Zen Computation Framework
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